Geometry & MOs

Info

ID:	145541
PubChem CID:	53542749
Reduced:	FON6C17H17 (1)
Stoich.:	ABC6D17E17 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	40.93
Dipole, Da:	4.31
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCCCNC2=C3C=NN(C3=NC=N2)CCC#N)F

DOS

IR

Vibrations